SCHEMBL7181995

SCHEMBL7181995

NS(=O)(=O)c1cccc(-c2ccc(CSCc3ccc(CP(=O)(OF)OF)c(Br)c3)cn2)c1.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.37
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CDK8 P49336 1/20 0.32
CA2 P00918 4/20 0.32
SYK P43405 1/20 0.32
PTGDR Q13258 1/20 0.32
MAOA P21397 2/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.31
ALOX5AP P20292 1/20 0.31
CA9 Q16790 3/20 0.31
CA1 P00915 2/20 0.31
CA13 Q8N1Q1 1/20 0.31
IKBKB O14920 2/20 0.31
PTK2 Q05397 1/20 0.30
CHUK O15111 1/20 0.30
CA12 O43570 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7594116 0.99 PTPN1 (0.38) PTPN1ABL1BCRCDK8CA2
SCHEMBL7595787 0.88 GFER (0.38) PTPN1
SCHEMBL7188776 0.87 PTPN1 (0.49) PTPN1CA2MAOAMAOBCA9
SCHEMBL7592239 0.86 PTPN1 (0.50) PTPN1CA2MAOAMAOBCA9
SCHEMBL7663140 0.80 PTPN1 (0.44) PTPN1CA2CA9CA1CA13
SCHEMBL7181989 0.79 PTPN1 (0.58) PTPN1ABL1BCRCA2ALOX5AP
SCHEMBL7193468 0.78 PTPN1 (0.45) PTPN1CA2PTK2
SCHEMBL7594113 0.78 PTPN1 (0.58) PTPN1ABL1BCRCA2ALOX5AP
SCHEMBL7182007 0.78 PTPN1 (0.58) PTPN1ABL1BCRCA2ALOX5AP
SCHEMBL7595311 0.76 PTPN1 (0.39) PTPN1CA2CA9CA1CA13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO PTPN1 13/4885ABL1 61/4885BCR 106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.